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We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

We present PyTorch Frame, a PyTorch-based framework for deep learning over multi-modal tabular data. PyTorch Frame makes tabular deep learning easy by providing a PyTorch-based data structure to handle complex tabular data, introducing a…

Machine Learning · Computer Science 2024-12-17 Weihua Hu , Yiwen Yuan , Zecheng Zhang , Akihiro Nitta , Kaidi Cao , Vid Kocijan , Jinu Sunil , Jure Leskovec , Matthias Fey

Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style…

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Shen Li , Yanli Zhao , Rohan Varma , Omkar Salpekar , Pieter Noordhuis , Teng Li , Adam Paszke , Jeff Smith , Brian Vaughan , Pritam Damania , Soumith Chintala

Although deep learning-based methods have shown great success in spatiotemporal predictive learning, the framework of those models is designed mainly by intuition. How to make spatiotemporal forecasting with theoretical guarantees is still…

Machine Learning · Computer Science 2024-02-26 Tongyi Liang , Han-Xiong Li

Deep metric learning algorithms have a wide variety of applications, but implementing these algorithms can be tedious and time consuming. PyTorch Metric Learning is an open source library that aims to remove this barrier for both…

Computer Vision and Pattern Recognition · Computer Science 2020-08-24 Kevin Musgrave , Serge Belongie , Ser-Nam Lim

As the role played by statistical and computational sciences in climate and environmental modelling and prediction becomes more important, Machine Learning researchers are becoming more aware of the relevance of their work to help tackle…

Machine Learning · Statistics 2020-12-23 Federico Amato , Fabian Guignard , Sylvain Robert , Mikhail Kanevski

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Graph Neural Networks have gained huge interest in the past few years. These powerful algorithms expanded deep learning models to non-Euclidean space and were able to achieve state of art performance in various applications including…

Machine Learning · Computer Science 2023-02-14 Zahraa Al Sahili , Mariette Awad

The combination of convolutional and recurrent neural networks is a promising framework that allows the extraction of high-quality spatio-temporal features together with its temporal dependencies, which is key for time series prediction…

We present TabMixNN, a flexible PyTorch-based deep learning framework that synthesizes classical mixed-effects modeling with modern neural network architectures for tabular data analysis. TabMixNN addresses the growing need for methods that…

Machine Learning · Computer Science 2026-01-01 Deniz Akdemir

Over the past few years, graph neural networks (GNNs) have become powerful and practical tools for learning on (static) graph-structure data. However, many real-world applications, such as social networks and e-commerce, involve temporal…

Generation and analysis of time-series data is relevant to many quantitative fields ranging from economics to fluid mechanics. In the physical sciences, structures such as metastable and coherent sets, slow relaxation processes, collective…

Deep learning algorithms have made many breakthroughs and have various applications in real life. Computational resources become a bottleneck as the data and complexity of the deep learning pipeline increases. In this paper, we propose…

Machine Learning · Computer Science 2021-05-05 Salman Ahmed , Hammad Naveed

In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

Chemical Physics · Physics 2022-04-06 Yaolong Zhang , Junfan Xia , Bin Jiang

Sequential deep learning models such as RNN, causal CNN and attention mechanism do not readily consume continuous-time information. Discretizing the temporal data, as we show, causes inconsistency even for simple continuous-time processes.…

Machine Learning · Computer Science 2021-03-30 Da Xu , Chuanwei Ruan , Evren Korpeoglu , Sushant Kumar , Kannan Achan

The characterization of dynamical processes in living systems provides important clues for their mechanistic interpretation and link to biological functions. Thanks to recent advances in microscopy techniques, it is now possible to…

Data Analysis, Statistics and Probability · Physics 2023-11-29 Jesús Pineda , Benjamin Midtvedt , Harshith Bachimanchi , Sergio Noé , Daniel Midtvedt , Giovanni Volpe , Carlo Manzo

A growing number of Machine Learning Frameworks recently made Deep Learning accessible to a wider audience of engineers, scientists, and practitioners, by allowing straightforward use of complex neural network architectures and algorithms.…

Machine Learning · Computer Science 2022-12-08 Ivan Svogor , Christian Eichenberger , Markus Spanring , Moritz Neun , Michael Kopp

Spatiotemporal graph neural networks (ST-GNNs) are powerful tools for modeling spatial and temporal data dependencies. However, their applications have been limited primarily to small-scale datasets because of memory constraints. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-17 Seth Ockerman , Amal Gueroudji , Tanwi Mallick , Yixuan He , Line Pouchard , Robert Ross , Shivaram Venkataraman

In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created…

Machine Learning · Computer Science 2021-04-29 Manu Joseph
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